SCHEMBL320958

SCHEMBL320958

CCCOc1ccc(OCCC)c(CC(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.47
PTGES O14684 1/20 0.47
ALOX5 P09917 1/20 0.47
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
BCL2L11 O43521 1/20 0.42
BCL2L1 Q07817 1/20 0.42
MCL1 Q07820 1/20 0.42
BAK1 Q16611 1/20 0.42
HTR2A P28223 1/20 0.41
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31351913 0.83 MAPT (0.44) PPARGPTGESALOX5GAASMN1; SMN2
SCHEMBL271643 0.83 MAPT (0.44) PPARGPTGESALOX5GAASMN1; SMN2
SCHEMBL13347809 0.82 MTNR1A (0.49) PPARGPTGESALOX5GAAMTNR1A
SCHEMBL327275 0.81 MTNR1A (0.51) PPARGPTGESALOX5GAAPPARD
SCHEMBL10866201 0.80 PTGES (0.46) PPARGPTGESALOX5GAASMN1; SMN2
SCHEMBL15118676 0.77 SLC6A2 (0.51) ALDH1A1MAPTKDM4EATM
SCHEMBL278422 0.77 MAPT (0.44) PPARGPTGESALOX5GAAPPARD
SCHEMBL8560597 0.76 MAPT (0.49) GAAALDH1A1POLBMAPTKDM4E
SCHEMBL5250394 0.74 PTGES (0.51) PPARGPTGESALOX5SMN1; SMN2MAPT
SCHEMBL5679220 0.74 MTNR1A (0.51) PPARGPTGESALOX5SMN1; SMN2PPARD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133898-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-13 US disclosed
US-20100137310-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-03 US disclosed
WO-2008121506-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100137310-A1 RENIN INHIBITORS REN, ACE, PRSS3 PPARG 3521/4885PTGES 1196/4885ALOX5 1964/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.